Back to Search
Methylium, Triphenyl-, Tetrafluoroborate(1-) (1:1)
CAS: 341-02-6 | C19H15BF4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
341-02-6
Molecular Formula:
C19H15BF4
Molecular Mass:
330.13 g/mol
Names and Synonyms:
Methylium, Triphenyl-, Tetrafluoroborate(1-) (1:1)
Methylium, triphenyl-, tetrafluoroborate(1-) (1:1)
Tritylium, tetrafluoroborate(1-)
Tritylium tetrafluoroborate
Methylium, triphenyl-, tetrafluoroborate(1-)
Tritylcarbonium fluoborate
Borate(1-), tetrafluoro-, tritylium
Borate(1-), tetrafluoro-, triphenylmethylium
Triphenylmethyl tetrafluoroborate
Trityl tetrafluoroborate
Triphenylcarbonium tetrafluoroborate
Triphenylmethyl fluoroborate
Trityl fluoroborate
Triphenylmethylium tetrafluoroborate
Triphenylcarbonium tetrafluoroborate(1-)
Trityl tetrafluoroborate(1-)
NSC 176021
Identifiers:
SMILES:
F[B-](F)(F)F.c1ccc([C+](c2ccccc2)c2ccccc2)cc1
InChI:
InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1
Key Properties
Melting Point
202 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 330.13 g/mol | CAS Common Chemistry |
| 330.13300000000004 g/mol | RDKit | |
| 330.12029376000004 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[F-].C=1C=CC(=CC1)[C+](C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C19H15.BF4/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;2-1(3,4)5/h1-15H;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VQXBOEYKSVVPSP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 202 °C (decomp) | CAS Common Chemistry |
| Name | Methylium, triphenyl-, tetrafluoroborate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.005790000000005 | RDKit |
| Molar Refractivity | 90.06100000000002 | RDKit |
